Description

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area.

This Volume and Volume 40 will be thematic volumes based on the proceedings of the Fifth European Workshop on Quantum Systems in Chemistry and Physics which was held April 13-18, 2000, in Uppsala, Sweden. We published the proceedings from a previous meeting in 1998. See Volumes 31 and 32.

Readership

Researchers in quantum chemistry, applied mathematics, biology and physics; universities and industrial research and development groups working on biological molecules and new materials, such as semiconductor chips, polymers, and alloys.

Table of Contents

Density Matrices and Phase-Space Functions Jens Peder Dahl Correlation Corrected Hartree-Fock and Density Functional Computations on Periodic Polymers Janos Ladik, Ferenc Bogar, and Vick Van Doren Effective Potential of a Single Excited State Along the Adiabatic Path Á. Nagy Gradient Corrections to the Kinetic-Energy Density Functional Stemming from a Regular Two-Component Relativistic Hamiltonian P. Tz. Yotov, F. E. Zakhariev, Ya. I. Delchev, and J. Maruani An Attempt to Release the Constrained Search Approach in the Density Functional Theory Boris P. Zapol Sturmian Expansions for Quantum Mechanical Many-Body Problems, and Hyperspherical Harmonics Vincenzo Aquilanti and John Avery The A+BC Reaction by the Hyperqantization Algorithm: the Symmetric Hyperspherical Parametrization for J > 0 Vincenzo Aquilanti, Simonetta Cavalli, Dario De Fazio, and Alessandro Volpi Distributed Gaussian Basis Sets: Variationally Optimized S-Type Sets V. N. Glushkov and Stephen Wilson Similarities in the Rydberg Spectra of the Isovalent Radicals CH3 and SiH3 I. Martín, A. M. Velasco, and C. Lavín Theoretical Study of Charge Transfer Mechanism in N4 + He Collisions at keV Energies Y. S. Tergiman and M. C. Bacchus-Montabonnel Intermediate Hamiltonian Fock-Space Coupled-Cluster Method Arie Landau, Ephraim Eliav, and Uzi Kaldor Full CI Solution of Perturbative Equations Gian Luigi Bendazzoli and Stefano Evangelisti On the Generalized Brillouin-Wigner Perturbation Theory and the Many-Body Problem I. Hubac and

Details

No. of pages:
381
Language:
English
Copyright:
© 2001
Published:
Imprint:
Academic Press
Electronic ISBN:
9780080916149
Print ISBN:
9780120348398
Print ISBN:
9780123917720

About the serial-volume-editors

Erkki Brandas

Erkki Brändas was born in Tampere, Finland in July1940 and was, as a Finnish war child, transported to Sweden in February 1942, finally adopted by his Swedish parents and given Swedish citizenship in 1947. He received his FL (PhD) in 1969 and Doctor of Philosophy (habilitation) in 1972, both at Uppsala University. Except for guest professorships in USA, Germany, Israel, he spent his professional career in Uppsala employed as Assistant- Associate- and Full Professor from 1975 until retirement in 2007. In addition to serving as chairman of the department of Quantum Chemistry, he was appointed Executive Director of the Uppsala Graduate School Advanced Instrumentation and Measurement supervising the doctoral education of 35 PhD’s from 1997-2007. He has served on various international scientific and editorial boards, e.g. Wiley, Elsevier and Springer including the service as Editor-in-Chief for the International Journal of Quantum Chemistry, Series Editor of the Advances in Quantum Chemistry. He is the current President of the International Society for Theoretical Chemical Physics, since 15 years, chairing a variety of international congresses and other numerous meetings, schools and workshops. He has published over 260 articles and edited more than 50 books on fundamental theoretical chemical physics from research on atoms, molecules and solid-state physics to complex enough systems in biology – from the microscopic realm to the cosmological rank.

Reviews

"Quantum chemistry has emerged as a subject in its own right. The Appearance of a review publication which surveys recent achievements in the field is therefore very appropriate and, when it has the quality of this volume, is most welcome." @source:--PROCEEDINGS OF THE THE PHYSICAL SOCIETY @qu:"The juxtaposition of the oldest of quantum chemical studies, atomic structure, and one of the newest, quantum biology, highlights the importance of quantum theory in modern chemistry. Thus, having first opened the book in search of a particular article, the reader is stimulated to delve into fields of which he has but a superficial knowledge. In this way the book can be instrumental in broadening the interests and background of those who turn to it." @source:--THE ROYAL INSTITUTE OF CHEMISTRY